Merged
Conversation
Member
lpatiny
commented
Mar 26, 2026
lpatiny
commented
- feat: add deltaNeutron to stableIsotopesObject
- fix: rename deltaNeutron to deltaNeutrons for consistency
- docs: add JSDoc comments to StableIsotope interface
- feat: add naturalDeltaNeutrons to getIsotopesInfo isotope entries
- feat: compute deltaNeutrons from composition in isotopic-distribution
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #305 +/- ##
=========================================
Coverage 100.00% 100.00%
=========================================
Files 1 1
Lines 1 1
=========================================
Hits 1 1 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
…entries Neutron difference between the specified isotope and the most abundant natural isotope. 0 for Kind.ATOM, computed for Kind.ISOTOPE and Kind.ISOTOPE_RATIO.
getDerivedCompositionInfo now returns deltaNeutrons based on stableIsotopesObject. IsotopicDistribution adjusts it using naturalDeltaNeutrons so deltaNeutrons is relative to the formula's monoisotopic mass, not natural abundance.
lpatiny
force-pushed
the
2026-03-26_10-25
branch
from
2acf2c1 to
06524e7
Compare
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.